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Details

Stereochemistry RACEMIC
Molecular Formula C5H5Cl3O3
Molecular Weight 219.45
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,5,5-TRICHLOROLEVULINIC ACID

SMILES

OC(=O)CC(Cl)C(=O)C(Cl)Cl

InChI

InChIKey=WIOJYAQAPLOCQS-UHFFFAOYSA-N
InChI=1S/C5H5Cl3O3/c6-2(1-3(9)10)4(11)5(7)8/h2,5H,1H2,(H,9,10)

HIDE SMILES / InChI

Molecular Formula C5H5Cl3O3
Molecular Weight 219.45
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:15:24 GMT 2023
Edited
by admin
on Sat Dec 16 16:15:24 GMT 2023
Record UNII
3F7ZW8VT7N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,5,5-TRICHLOROLEVULINIC ACID
Common Name English
PENTANOIC ACID, 3,5,5-TRICHLORO-4-OXO-
Systematic Name English
LEVULINIC ACID, 3,5,5-TRICHLORO-
Systematic Name English
Code System Code Type Description
FDA UNII
3F7ZW8VT7N
Created by admin on Sat Dec 16 16:15:24 GMT 2023 , Edited by admin on Sat Dec 16 16:15:24 GMT 2023
PRIMARY
CAS
10595-98-9
Created by admin on Sat Dec 16 16:15:24 GMT 2023 , Edited by admin on Sat Dec 16 16:15:24 GMT 2023
PRIMARY
PUBCHEM
154096197
Created by admin on Sat Dec 16 16:15:24 GMT 2023 , Edited by admin on Sat Dec 16 16:15:24 GMT 2023
PRIMARY